Information card for entry 4115087

Structure parameters

• Formula: C27 H22 Cl2 O4
• Calculated formula: C27 H22 Cl2 O4
• Title of publication: Tetrakis(2-hydroxyphenyl)ethene and Derivatives. A Structurally Preorganized Tetradentate Ligand System for Polymetallic Coordination Chemistry and Catalysis
• Authors of publication: Udo Verkerk; Megumi Fujita; Trevor L. Dzwiniel; Robert McDonald; Jeffrey M. Stryker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9988 - 9989
• a: 8.231 ± 0.0012 Å
• b: 9.6048 ± 0.0012 Å
• c: 17.243 ± 0.002 Å
• α: 75.61 ± 0.01°
• β: 78.168 ± 0.01°
• γ: 64.983 ± 0.01°
• Cell volume: 1188.8 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections: 0.2511
• Weighted residual factors for significantly intense reflections: 0.21
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No